(1s 2 2s 2 2p 5 5d 1 ) 3 P Na +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3152.
N.V.Novikov // Wave Function Value Database;
http://cdfe.sinp.msu.ru/services/wftables/
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 5d- electron | |
| 1 | 3d | .480473 | 1.85191251 |
| 2 | 4d | .438222 | -4.64856806 |
| 3 | 5d | .400144 | 3.43568892 |
| 4 | 3d | 1.176482 | .05509883 |
| 5 | 5d | 1.824782 | -.01285849 |
| 6 | 4d | 3.720102 | .00604433 |
| 7 | 5d | 6.629105 | .00043797 |
| 8 | 3d | 5.108204 | .00250678 |
| ORB.ENERGY,a.u. | -.081824 | ||
| NORM | .999993 | < R > | 16.790259 | < R2 > | 320.682607 | < 1/R > | .084138 | < 1/R**2 > | .015407 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.841482 | 1.39445771 |
| 2 | 3p | 3.459888 | -.49842516 |
| 3 | 2p | 7.688598 | .10376158 |
| 4 | 4p | 8.593089 | .02737897 |
| 5 | 5p | 2.328590 | .03697213 |
| 6 | 4p | 2.097734 | -.04350791 |
| 7 | 5p | 27.506892 | -.00015350 |
| 8 | 4p | 12.119532 | .00103998 |
| ORB.ENERGY,a.u. | -2.467200 | ||
| NORM | 1.000000 | < R > | .738635 | < R2 > | .689226 | < 1/R > | 1.796915 | < 1/R**2 > | 4.609985 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.122430 | .32136197 |
| 2 | 2s | 4.172088 | -.81109679 |
| 3 | 3s | 3.314151 | -.32106506 |
| 4 | 4s | 14.634177 | .01133283 |
| 5 | 3s | 18.387556 | .00229534 |
| 6 | 5s | 29.380347 | .00035017 |
| 7 | 5s | 2.385058 | -.00609928 |
| 8 | 4s | 2.691088 | .00981243 |
| 9 | 3s | 1.534820 | .00261038 |
| ORB.ENERGY,a.u. | -2.975600 | ||
| NORM | 1.000000 | < R > | .752955 | < R2 > | .677908 | < 1/R > | 1.927153 | < 1/R**2 > | 15.318152 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.229990 | .91337040 |
| 2 | 1s | 15.492794 | .08642431 |
| 3 | 2s | 5.346057 | .01503873 |
| 4 | 3s | 7.014892 | -.01793769 |
| 5 | 4s | 9.114164 | .01105061 |
| 6 | 5s | 25.926079 | .00104937 |
| 7 | 4s | 58.317926 | -.00005715 |
| ORB.ENERGY,a.u. | -39.982000 |
| NORM | 1.000000 | < R > | .142772 | < R2 > | .027437 | < 1/R > | 10.611093 | < 1/R**2 > | 227.652901 |
Total Energy= -160.07889032 a.u.
Kinetic Energy= 160.07921889 a.u.
Potential Energy= -320.15810921 a.u.
Virial Ratio = -1.99999795